USPEX-evolutionary crystal structure prediction

DOI10.1016/J.CPC.2006.07.020MaRDI QIDQ709941zbMATH OpenOpenAlexFDO

Authors Colin W. Glass, Artem R. Oganov, Nikolaus Hansen

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2006.07.020

zbMATH Keywords

evolutionary algorithmfree energycrystal structure predictionab initio

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20)

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Cites work

• scientific article; zbMATH DE number 2130220 (Why is no real title available?)
• Evolution algorithms in combinatorial optimization

Cited in

(17)

• FLAME: a library of atomistic modeling environments
• Pauling's rules guided Monte Carlo search (PAMCARS): a shortcut of predicting inorganic crystal structures
• \textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction
• Frequency estimate for multicomponent crystalline compounds
• Superconductivity in hydrogenated carbon nanostructures
• \textsc{ElasTool}: an automated toolkit for elastic constants calculation
• Speeding up plane-wave electronic-structure calculations using graphics-processing units
• Entropic Trust Region for Densest Crystallographic Symmetry Group Packings
• Crystal structure prediction via oblivious local search
• An introduction to ``computational crystallography
• Prediction of molecular crystal structures by a crystallographic QM/MM model with full space-group symmetry
• USPEX
• \texttt{XtalOpt}: an open-source evolutionary algorithm for crystal structure prediction
• The integrated environment for semi-automatic simulations of crystals using GULP program
• \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction
• How to predict very large and complex crystal structures
• Search for common minima in joint optimization of multiple cost functions

Describes a project that uses

Uses Software

• SIESTA

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